N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

C12H19N3O2S — CID 41227694

IUPACN-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCCNC(=O)Cc1csc(NC(=O)C(C)(C)C)n1
InChIInChI=1S/C12H19N3O2S/c1-5-13-9(16)6-8-7-18-11(14-8)15-10(17)12(2,3)4/h7H,5-6H2,1-4H3,(H,13,16)(H,14,15,17)
InChIKeyQGTMUDPXJHUMHI-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.81
Rot. Bonds4

About N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 41227694) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
PubChem CID41227694
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCCNC(=O)Cc1csc(NC(=O)C(C)(C)C)n1
InChIInChI=1S/C12H19N3O2S/c1-5-13-9(16)6-8-7-18-11(14-8)15-10(17)12(2,3)4/h7H,5-6H2,1-4H3,(H,13,16)(H,14,15,17)
InChIKeyQGTMUDPXJHUMHI-UHFFFAOYSA-N
XLogP1.81
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (CID 41227694) is N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is CCNC(=O)Cc1csc(NC(=O)C(C)(C)C)n1.
What is the InChIKey of N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is QGTMUDPXJHUMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-5-13-9(16)6-8-7-18-11(14-8)15-10(17)12(2,3)4/h7H,5-6H2,1-4H3,(H,13,16)(H,14,15,17).
What are the key properties of N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 269.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 41227694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).